3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide

C10H20N4O2 — CID 79994371

IUPAC3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
SMILESCC1CC(N)CN(CCC(=O)NC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-7-4-8(11)6-14(5-7)3-2-9(15)13-10(12)16/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16)
InChIKeyQWTCPTWSGIYFAG-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.76
Rot. Bonds3

About 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide

3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide (PubChem CID 79994371) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
PubChem CID79994371
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
SMILESCC1CC(N)CN(CCC(=O)NC(N)=O)C1
InChIInChI=1S/C10H20N4O2/c1-7-4-8(11)6-14(5-7)3-2-9(15)13-10(12)16/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16)
InChIKeyQWTCPTWSGIYFAG-UHFFFAOYSA-N
XLogP-0.76
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide (CID 79994371) is 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide is CC1CC(N)CN(CCC(=O)NC(N)=O)C1.
What is the InChIKey of 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide?
The InChIKey is QWTCPTWSGIYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7-4-8(11)6-14(5-7)3-2-9(15)13-10(12)16/h7-8H,2-6,11H2,1H3,(H3,12,13,15,16).
What are the key properties of 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide?
3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide has a molecular weight of 228.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 79994371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).